2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane

C11H22O2S — CID 134238844

IUPAC2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane
SMILESCSCCCCCC1COC(C)(C)O1
InChIInChI=1S/C11H22O2S/c1-11(2)12-9-10(13-11)7-5-4-6-8-14-3/h10H,4-9H2,1-3H3
InChIKeyJYCOTCMIDFQBDC-UHFFFAOYSA-N
MW218.36 g/mol
LogP3.06
Rot. Bonds6

About 2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane

2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane (PubChem CID 134238844) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane
PubChem CID134238844
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane
SMILESCSCCCCCC1COC(C)(C)O1
InChIInChI=1S/C11H22O2S/c1-11(2)12-9-10(13-11)7-5-4-6-8-14-3/h10H,4-9H2,1-3H3
InChIKeyJYCOTCMIDFQBDC-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane (CID 134238844) is 2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane is CSCCCCCC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane?
The InChIKey is JYCOTCMIDFQBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-11(2)12-9-10(13-11)7-5-4-6-8-14-3/h10H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane?
2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane has a molecular weight of 218.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(5-methylsulfanylpentyl)-1,3-dioxolane is sourced from PubChem (CID 134238844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).